N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

HCID 71270505
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2c[nH]c3ccccc23)n1
InChIKey
HULRRFGCVITTOX-MRXNPFEDSA-N
Molecular formula
C25H27N7O3
Average molar mass
473.5 g/mol

Names & identifiers

Preferred name
N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine
IUPAC
N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine

Names & synonyms

SCHEMBL14719597HULRRFGCVITTOX-MRXNPFEDSA-NN-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

Database identifiers

PubChem CID
71270505

Properties

Computed structural properties

XLogP
4
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Linked notes

Loading…